N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide

C25H39N5O3 — CID 54768832

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide
SMILESCN(C)C(=O)CCC(=O)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIInChI=1S/C25H39N5O3/c1-28(2)24(32)8-7-23(31)27-20-5-3-19(4-6-20)10-13-29-14-16-30(17-15-29)25-21-11-18-33-22(21)9-12-26-25/h9,12,19-20H,3-8,10-11,13-18H2,1-2H3,(H,27,31)
InChIKeyGXVCWWLYAQAZCU-UHFFFAOYSA-N
MW457.62 g/mol
LogP2.07
Rot. Bonds8

About N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide (PubChem CID 54768832) has the molecular formula C25H39N5O3 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide
PubChem CID54768832
Molecular FormulaC25H39N5O3
Molecular Weight457.62 g/mol
Exact Mass457.31
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide
SMILESCN(C)C(=O)CCC(=O)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIInChI=1S/C25H39N5O3/c1-28(2)24(32)8-7-23(31)27-20-5-3-19(4-6-20)10-13-29-14-16-30(17-15-29)25-21-11-18-33-22(21)9-12-26-25/h9,12,19-20H,3-8,10-11,13-18H2,1-2H3,(H,27,31)
InChIKeyGXVCWWLYAQAZCU-UHFFFAOYSA-N
XLogP2.07
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Ethoxy-phenyl)-N'-(4-methyl-pyridin-2-yl)-N-(phenethylcarbamoyl-methyl)-succinamide
CID 3208392
N-{trans-4-[2-(4-Furo[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-acetamide
CID 54768825
N-{trans-4-[2-(4-Furo[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-propionamide
CID 54768828
But-2-ynoic acid trans-(4-{2-[4-(2,3-dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-amide
CID 54768829
N-[4-[2-[4-(6-methyl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
CID 54768833
trans-4-Cyano-N-(4-{2-[4-(2,3-dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-benzamide
CID 54768834
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-methoxypropanamide
CID 54769057
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-hydroxypropanamide
CID 54769058
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-methoxyacetamide
CID 54769060
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(4-methoxycyclohexyl)acetamide
CID 54769061
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
CID 54769062
trans-N-(4-{2-[4-(2,3-Dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-6-methyl-nicotinamide
CID 54769063

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide (CID 54768832) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide is CN(C)C(=O)CCC(=O)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide?
The InChIKey is GXVCWWLYAQAZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O3/c1-28(2)24(32)8-7-23(31)27-20-5-3-19(4-6-20)10-13-29-14-16-30(17-15-29)25-21-11-18-33-22(21)9-12-26-25/h9,12,19-20H,3-8,10-11,13-18H2,1-2H3,(H,27,31).
What are the key properties of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide has a molecular weight of 457.62 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide is sourced from PubChem (CID 54768832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).